Self-consistent parameterization of dna residues for the non-polarizable amber force fields

HIGHLIGHTS

• who: Amelia L. Schneider et al. from the Department of Biology, Georgia State University, Atlanta, GA, USA have published the research: Self-Consistent Parameterization of DNA Residues for the Non-Polarizable AMBER Force Fields, in the Journal: Life 2022, 12, 666. of /2022/
• what: Benchmarking against the existing charge set used in current nucleic acid forcefields the authors report that quantum mechanical models of deoxynucleosides even at a high level of theory are not optimal structures for charge derivation. The aim of this work is two-fold.
• how: As the legacy AMBER4 program . . .
  

   

  

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